CID 9571143

2-ethyl-3-[(e)-3-pyridylmethyleneamino]isothiourea

Structural Information

Molecular Formula
C9H12N4S
SMILES
CCS/C(=N\N=C\C1=CN=CC=C1)/N
InChI
InChI=1S/C9H12N4S/c1-2-14-9(10)13-12-7-8-4-3-5-11-6-8/h3-7H,2H2,1H3,(H2,10,13)/b12-7+
InChIKey
RHHGCRYNBYSGQI-KPKJPENVSA-N
Compound name
ethyl N'-[(E)-pyridin-3-ylmethylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.07826 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08554 144.3
[M+Na]+ 231.06748 150.8
[M-H]- 207.07098 148.7
[M+NH4]+ 226.11208 162.5
[M+K]+ 247.04142 148.0
[M+H-H2O]+ 191.07552 136.0
[M+HCOO]- 253.07646 166.9
[M+CH3COO]- 267.09211 194.0
[M+Na-2H]- 229.05293 149.2
[M]+ 208.07771 145.0
[M]- 208.07881 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.